SCHEMBL3580102

SCHEMBL3580102

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccn4C)n3Cc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.50
AVPR1A P37288 10/20 0.46
NAMPT P43490 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5890729 0.86 AVPR2 (0.50) AVPR2AVPR1ANAMPT
SCHEMBL5891483 0.85 AVPR2 (0.51) AVPR2AVPR1ANAMPT
SCHEMBL3553453 0.84 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL5788720 0.84 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL3576454 0.83 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL3576884 0.83 AVPR2 (0.51) AVPR2AVPR1ANAMPT
SCHEMBL5784283 0.83 AVPR2 (0.55) AVPR2AVPR1ANAMPT
SCHEMBL3537960 0.82 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL3552894 0.82 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL5782806 0.82 AVPR2 (0.48) AVPR2AVPR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
EP-1879898-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124581-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS WYETH (US) 2006-11-23 WO disclosed
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH (US) 2006-11-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists FSHR, GNRHR, PRLHR AVPR2 9/4885AVPR1A 16/4885NAMPT 1998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.